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PRD_900082

Summary
Name:2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranose
Formula:C12 H21 F O10
Fomular weight:344.288
Component type:saccharide
Polymer sequences:SHG, BGC
Non-polymer components:
BIRD class:Substrate analog
Represented as:branched
Description:oligosaccharide

ProgramVersionName
ACDLabs12.012-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranose
OpenEye OEToolkits2.0.7(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-fluoranyl-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan- 3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(O)C2OC(OC1C(O)C(F)C(OC1CO)O)C(C(C2O)O)O
InChIInChI1.03InChI=1S/C12H21FO10/c13-5-7(17)10(4(2-15)21-11(5)20)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7 -,8+,9-,10-,11-,12+/m1/s1
InChIKeyInChI1.03CHZBROHNUFSPPZ-DZGNIOAVSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](F)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385OC[CH]1O[CH](O[CH]2[CH](O)[CH](F)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)F)O)CO)O)O)O)O
SMILESOpenEye OEToolkits2.0.7C(C1C(C(C(C(O1)OC2C(OC(C(C2O)F)O)CO)O)O)O)O

221716

PDB entries from 2024-06-26

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